3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

C11H14FNO5S — CID 66174634

IUPAC3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H14FNO5S/c1-7-5-8(12)3-4-9(7)19(17,18)13-6-11(2,16)10(14)15/h3-5,13,16H,6H2,1-2H3,(H,14,15)
InChIKeyOTENNYIRLVGNFB-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.25
Rot. Bonds5

About 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174634) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174634
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H14FNO5S/c1-7-5-8(12)3-4-9(7)19(17,18)13-6-11(2,16)10(14)15/h3-5,13,16H,6H2,1-2H3,(H,14,15)
InChIKeyOTENNYIRLVGNFB-UHFFFAOYSA-N
XLogP0.25
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066027
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 95983001
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
3-[(2,4-dimethylphenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427434

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 66174634) is 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is Cc1cc(F)ccc1S(=O)(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is OTENNYIRLVGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-7-5-8(12)3-4-9(7)19(17,18)13-6-11(2,16)10(14)15/h3-5,13,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 291.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).